#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnm s SER 2 N 0.00 -0.54 -0.01 1.61 0.15 -1.26 -5.17 113.70 108.48 2dnm s SER 2 Ca 0.00 0.91 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 2dnm s SER 2 Cb 0.00 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2dnm s SER 2 CO 0.00 -0.30 0.11 -0.44 1.20 0.00 0.00 173.24 173.81 2dnm s SER 3 N -0.19 0.02 -0.26 5.45 0.01 -1.26 -5.16 113.70 112.31 2dnm s SER 3 Ca -0.04 -0.14 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 2dnm s SER 3 Cb -0.03 0.21 0.17 0.00 0.21 0.00 0.00 66.02 66.57 2dnm s SER 3 CO 0.03 -0.28 1.26 -0.83 0.41 0.00 0.00 173.24 173.83 2dnm s GLY 4 N -1.05 0.02 -0.08 3.44 0.00 -1.26 -5.09 107.32 103.30 2dnm s GLY 4 Ca -0.11 2.72 -0.08 0.00 0.00 0.00 0.00 44.72 47.25 2dnm s GLY 4 CO 0.01 1.24 -0.15 1.44 0.00 0.00 0.00 173.10 175.64 2dnm n SER 5 N 0.80 0.97 -0.01 1.64 7.64 -1.26 -4.96 113.62 118.44 2dnm n SER 5 Ca -0.05 0.27 -0.02 0.00 1.01 0.00 0.00 58.87 60.09 2dnm n SER 5 Cb 0.58 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 2dnm n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dnm n SER 6 N -3.49 0.50 0.00 6.43 2.88 -1.26 -5.13 113.62 113.55 2dnm n SER 6 Ca -0.06 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2dnm n SER 6 Cb 0.22 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2dnm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dnm n GLY 7 N 2.34 2.00 3.24 0.46 0.00 -1.26 -5.12 105.19 106.85 2dnm n GLY 7 Ca -0.03 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 2dnm n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dnm n PRO 8 N 0.00 0.06 -1.03 1.61 -0.02 -1.26 -4.71 135.00 129.64 2dnm n PRO 8 Ca 0.00 0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.15 2dnm n PRO 8 Cb 0.00 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 2dnm n PRO 8 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dnm n ASP 9 N 1.73 -0.67 -4.55 2.55 8.00 -1.26 -4.88 116.55 117.47 2dnm n ASP 9 Ca 0.05 0.82 -0.40 0.00 0.71 0.00 0.00 54.79 55.98 2dnm n ASP 9 Cb 0.51 -0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 2dnm n ASP 9 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2dnm s VAL 10 N -0.53 5.27 -0.29 2.53 -7.23 -1.26 -5.03 120.40 113.85 2dnm s VAL 10 Ca 0.51 -0.02 -0.17 0.00 -1.81 0.00 0.00 61.98 60.50 2dnm s VAL 10 Cb -0.74 -3.68 0.14 0.00 0.56 0.00 0.00 36.38 32.67 2dnm s VAL 10 CO 0.41 0.06 0.98 -0.62 -0.31 0.00 0.00 175.10 175.62 2dnm s ASP 11 N 1.73 -0.50 -0.52 4.85 2.15 -1.26 -5.05 116.67 118.07 2dnm s ASP 11 Ca 0.08 0.81 -0.14 0.00 0.43 0.00 0.00 52.55 53.73 2dnm s ASP 11 Cb -0.17 1.18 0.02 0.00 -0.30 0.00 0.00 42.92 43.65 2dnm s ASP 11 CO 0.11 -0.13 0.63 0.61 -0.17 0.00 0.00 175.17 176.22 2dnm n GLY 12 N 3.61 -1.17 0.32 2.66 0.00 -1.26 -4.99 105.19 104.36 2dnm n GLY 12 Ca -0.18 1.05 0.00 0.00 0.00 0.00 0.00 46.02 46.88 2dnm n GLY 12 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dnm n MET 13 N -0.72 0.00 -3.36 1.61 0.00 -1.26 -5.04 117.12 108.35 2dnm n MET 13 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.67 2dnm n MET 13 Cb 0.50 -0.82 -0.08 0.00 0.00 0.00 0.00 33.22 32.82 2dnm n MET 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2dnm s ILE 14 N -1.97 -0.63 0.07 3.17 -1.09 -1.26 -5.00 121.20 114.49 2dnm s ILE 14 Ca 0.00 -0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 2dnm s ILE 14 Cb 0.00 -0.81 -0.04 0.00 -1.58 0.00 0.00 42.46 40.03 2dnm s ILE 14 CO 0.00 -0.10 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.63 2dnm s THR 15 N 2.57 3.41 -0.07 2.92 2.01 -1.26 0.02 115.64 125.24 2dnm s THR 15 Ca 0.12 -1.11 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2dnm s THR 15 Cb -0.15 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.83 2dnm s THR 15 CO -0.16 0.22 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.17 2dnm s LEU 16 N -1.90 1.27 -0.01 4.42 1.43 0.16 -2.10 118.68 121.95 2dnm s LEU 16 Ca 0.20 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 2dnm s LEU 16 Cb -0.11 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.45 2dnm s LEU 16 CO 0.11 -0.06 0.60 -0.75 0.23 0.00 0.00 176.35 176.48 2dnm s LYS 17 N 1.15 4.32 -0.01 1.70 2.20 0.89 -1.79 119.74 128.20 2dnm s LYS 17 Ca -0.07 0.74 0.07 0.00 -0.36 0.00 0.00 55.97 56.35 2dnm s LYS 17 Cb -0.14 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2dnm s LYS 17 CO -0.01 0.35 -0.22 0.08 -0.36 0.00 0.00 175.35 175.19 2dnm s VAL 18 N -0.14 1.72 0.24 4.02 1.01 -0.84 -1.17 120.40 125.23 2dnm s VAL 18 Ca 0.31 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2dnm s VAL 18 Cb -0.18 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2dnm s VAL 18 CO 0.17 0.47 0.09 -0.67 0.00 0.00 0.00 175.10 175.16 2dnm n ASP 19 N 2.49 0.96 -3.07 3.32 2.03 0.16 -1.09 116.55 121.35 2dnm n ASP 19 Ca -0.15 -2.28 -0.21 0.00 0.52 0.00 0.00 54.79 52.67 2dnm n ASP 19 Cb 0.53 0.64 0.01 0.00 -0.72 0.00 0.00 41.12 41.57 2dnm n ASP 19 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2dnm n ASN 20 N -1.79 -4.49 -4.52 1.67 4.13 -1.22 -3.43 115.26 105.60 2dnm n ASN 20 Ca -0.03 -0.24 -0.43 0.00 1.68 0.00 0.00 54.58 55.56 2dnm n ASN 20 Cb 0.36 -3.70 -0.05 0.00 -1.54 0.00 0.00 39.78 34.85 2dnm n ASN 20 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dnm s LEU 21 N -6.37 4.25 0.72 3.41 1.43 -1.20 -4.73 118.68 116.19 2dnm s LEU 21 Ca 0.29 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 2dnm s LEU 21 Cb -0.15 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.25 2dnm s LEU 21 CO 0.36 -1.07 1.19 0.28 0.23 0.00 0.00 176.35 177.34 2dnm s THR 22 N 3.55 2.46 0.33 5.49 -1.32 -1.26 -4.79 115.64 120.10 2dnm s THR 22 Ca 0.29 0.22 0.12 0.00 -1.21 0.00 0.00 61.69 61.11 2dnm s THR 22 Cb -0.13 -2.77 0.32 0.00 -1.51 0.00 0.00 72.50 68.41 2dnm s THR 22 CO 0.20 -0.13 1.67 0.10 -2.21 0.00 0.00 174.62 174.26 2dnm h TYR 23 N -0.27 0.86 -0.74 9.09 -0.00 -1.96 0.77 116.97 124.72 2dnm h TYR 23 Ca -0.47 0.04 0.12 0.00 0.00 0.00 0.00 58.73 58.41 2dnm h TYR 23 Cb 1.29 -0.22 -0.05 0.00 0.00 0.00 0.00 36.73 37.75 2dnm h TYR 23 CO 0.48 -0.14 0.49 0.00 -0.00 0.00 0.00 178.16 178.99 2dnm h ARG 24 N 0.36 0.53 -6.05 0.10 3.08 -2.02 -3.43 114.38 106.94 2dnm h ARG 24 Ca 0.69 -0.03 -0.83 0.00 0.07 0.00 0.00 59.98 59.88 2dnm h ARG 24 Cb 1.50 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.45 2dnm h ARG 24 CO -0.59 0.35 0.76 2.41 -1.07 0.00 0.00 179.97 181.83 2dnm n THR 25 N -4.49 0.11 -4.37 2.04 -1.04 0.27 -4.94 114.28 101.86 2dnm n THR 25 Ca 0.13 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.92 2dnm n THR 25 Cb 0.41 -0.76 -0.10 0.00 -1.82 0.00 0.00 70.33 68.07 2dnm n THR 25 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dnm s SER 26 N 3.18 2.78 0.19 8.00 0.01 -1.26 -4.97 113.70 121.63 2dnm s SER 26 Ca 1.03 -1.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.07 2dnm s SER 26 Cb -1.35 -0.17 0.14 0.00 0.21 0.00 0.00 66.02 64.86 2dnm s SER 26 CO 0.76 -0.12 1.58 -0.65 0.41 0.00 0.00 173.24 175.22 2dnm h PRO 27 N 2.54 -0.13 -0.43 12.44 0.11 -1.98 0.14 132.00 144.69 2dnm h PRO 27 Ca -0.39 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.82 2dnm h PRO 27 Cb 1.23 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 2dnm h PRO 27 CO 0.61 -0.09 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.60 2dnm h ASP 28 N -0.14 -0.92 0.59 -2.05 5.19 -1.99 -0.33 116.42 116.78 2dnm h ASP 28 Ca 0.25 0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.81 2dnm h ASP 28 Cb 0.56 0.46 0.01 0.00 0.18 0.00 0.00 39.33 40.53 2dnm h ASP 28 CO -0.73 -0.29 -0.28 -1.28 -3.12 0.00 0.00 179.24 173.54 2dnm h SER 29 N -0.19 -0.67 -1.70 6.45 0.87 -1.62 -0.45 113.55 116.23 2dnm h SER 29 Ca 0.19 0.02 0.51 0.00 -1.23 0.00 0.00 61.79 61.28 2dnm h SER 29 Cb 0.50 0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.55 2dnm h SER 29 CO -0.54 -0.48 1.20 0.25 -0.53 0.00 0.00 176.83 176.73 2dnm h LEU 30 N -0.80 0.06 0.07 2.23 5.85 -0.81 0.28 115.31 122.19 2dnm h LEU 30 Ca -0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2dnm h LEU 30 Cb 0.61 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2dnm h LEU 30 CO 0.13 -0.05 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.06 2dnm h ARG 31 N 0.02 -0.09 0.00 1.25 2.43 -0.63 -3.24 114.38 114.12 2dnm h ARG 31 Ca 0.86 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 60.03 2dnm h ARG 31 Cb 3.27 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 32.84 2dnm h ARG 31 CO -0.11 0.40 0.16 -0.09 -1.51 0.00 0.00 179.97 178.82 2dnm h ARG 32 N -0.95 0.00 0.01 0.20 9.65 0.12 0.25 114.38 123.66 2dnm h ARG 32 Ca -0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2dnm h ARG 32 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2dnm h ARG 32 CO 0.02 0.00 -0.01 0.28 2.80 0.00 0.00 179.97 183.06 2dnm h VAL 33 N 0.00 0.99 0.00 0.20 2.07 -1.06 -3.18 116.25 115.27 2dnm h VAL 33 Ca 0.00 -0.01 -0.36 0.00 0.82 0.00 0.00 66.70 67.15 2dnm h VAL 33 Cb 0.32 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2dnm h VAL 33 CO 0.00 0.00 -2.32 0.49 0.02 0.00 0.00 177.57 175.76 2dnm n PHE 34 N -5.10 0.12 -0.39 1.57 3.72 -0.74 -4.35 117.46 112.30 2dnm n PHE 34 Ca -0.07 0.04 0.31 0.00 -0.05 0.00 0.00 57.45 57.68 2dnm n PHE 34 Cb 0.04 -1.02 0.58 0.00 -0.94 0.00 0.00 39.48 38.14 2dnm n PHE 34 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2dnm h GLU 35 N 0.00 0.20 -0.97 -1.08 4.22 -0.10 0.81 114.58 117.66 2dnm h GLU 35 Ca -0.52 -0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.08 2dnm h GLU 35 Cb 2.18 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 31.30 2dnm h GLU 35 CO 0.02 0.13 0.61 -0.22 -2.18 0.00 0.00 179.01 177.38 2dnm h LYS 36 N 0.21 0.71 0.00 1.92 3.64 -1.74 -3.28 116.57 118.02 2dnm h LYS 36 Ca 0.74 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.90 2dnm h LYS 36 Cb 2.11 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.75 2dnm h LYS 36 CO -0.41 0.47 -1.50 0.66 -2.27 0.00 0.00 179.45 176.39 2dnm n TYR 37 N -4.66 0.00 -4.67 1.91 4.01 0.23 -5.03 117.16 108.95 2dnm n TYR 37 Ca 0.21 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.71 2dnm n TYR 37 Cb 0.54 -0.60 -0.15 0.00 -0.31 0.00 0.00 39.34 38.83 2dnm n TYR 37 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2dnm s GLY 38 N -5.06 0.91 0.43 2.72 0.00 0.18 -4.95 107.32 101.56 2dnm s GLY 38 Ca -0.28 -0.85 -0.25 0.00 0.00 0.00 0.00 44.72 43.33 2dnm s GLY 38 CO 0.38 -0.77 1.35 0.50 0.00 0.00 0.00 173.10 174.56 2dnm s ARG 39 N -0.79 3.81 -0.42 2.90 0.52 -1.26 -2.29 118.95 121.42 2dnm s ARG 39 Ca 0.06 2.24 -0.20 0.00 -0.52 0.00 0.00 55.73 57.31 2dnm s ARG 39 Cb -0.08 -2.68 0.02 0.00 0.52 0.00 0.00 34.95 32.73 2dnm s ARG 39 CO 0.00 -0.65 0.60 0.08 0.02 0.00 0.00 175.30 175.36 2dnm s VAL 40 N -1.25 4.88 0.43 3.52 1.01 -1.26 -4.31 120.40 123.42 2dnm s VAL 40 Ca 0.59 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.77 2dnm s VAL 40 Cb -0.40 -4.15 0.28 0.00 0.00 0.00 0.00 36.38 32.11 2dnm s VAL 40 CO 0.51 -0.52 2.05 1.23 0.00 0.00 0.00 175.10 178.37 2dnm h GLY 41 N 9.54 0.51 -5.53 4.51 0.00 -0.97 -3.45 103.07 107.68 2dnm h GLY 41 Ca -0.26 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.02 2dnm h GLY 41 CO 0.87 0.16 0.68 -0.35 0.00 0.00 0.00 176.54 177.89 2dnm s ASP 42 N -6.61 -0.24 -0.27 0.19 2.15 -1.25 -4.94 116.67 105.69 2dnm s ASP 42 Ca -0.08 0.45 -0.06 0.00 0.43 0.00 0.00 52.55 53.29 2dnm s ASP 42 Cb 0.18 0.44 -0.00 0.00 -0.30 0.00 0.00 42.92 43.24 2dnm s ASP 42 CO 0.73 -0.10 0.05 -0.69 -0.17 0.00 0.00 175.17 174.99 2dnm s VAL 43 N -0.04 3.90 -0.27 1.11 1.01 -1.26 -1.79 120.40 123.06 2dnm s VAL 43 Ca 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 2dnm s VAL 43 Cb -0.04 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2dnm s VAL 43 CO -0.10 0.20 0.03 -0.47 0.00 0.00 0.00 175.10 174.76 2dnm s TYR 44 N 1.52 3.11 -0.37 5.22 6.14 0.87 -5.02 117.35 128.82 2dnm s TYR 44 Ca 0.04 -1.13 0.02 0.00 0.64 0.00 0.00 57.07 56.64 2dnm s TYR 44 Cb -0.16 -2.19 0.11 0.00 0.42 0.00 0.00 41.96 40.14 2dnm s TYR 44 CO 0.01 -0.61 0.12 0.42 0.64 0.00 0.00 175.55 176.13 2dnm s ILE 45 N 1.45 1.75 0.55 3.14 1.01 -1.26 -0.76 121.20 127.08 2dnm s ILE 45 Ca 0.02 -2.20 -0.17 0.00 0.00 0.00 0.00 60.65 58.30 2dnm s ILE 45 Cb -0.17 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 2dnm s ILE 45 CO 0.00 -0.69 1.05 -2.16 0.00 0.00 0.00 174.94 173.14 2dnm s PRO 46 N 0.90 3.49 0.24 2.79 0.04 -1.26 -5.03 135.00 136.18 2dnm s PRO 46 Ca 0.12 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.51 2dnm s PRO 46 Cb -0.20 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 2dnm s PRO 46 CO -0.11 -0.67 0.04 -0.98 0.04 0.00 0.00 177.00 175.32 2dnm s ARG 47 N -3.78 2.46 0.34 4.56 1.70 -1.26 -2.95 118.95 120.02 2dnm s ARG 47 Ca 0.65 -1.27 -0.27 0.00 -0.47 0.00 0.00 55.73 54.36 2dnm s ARG 47 Cb -0.16 -2.29 -0.09 0.00 -0.57 0.00 0.00 34.95 31.83 2dnm s ARG 47 CO 0.31 0.39 1.17 -2.00 -1.08 0.00 0.00 175.30 174.09 2dnm s GLU 48 N -3.57 4.34 0.00 3.89 2.12 -0.95 -4.52 118.70 120.02 2dnm s GLU 48 Ca 0.31 1.90 0.01 0.00 0.36 0.00 0.00 54.97 57.55 2dnm s GLU 48 Cb -0.07 -2.95 0.04 0.00 0.26 0.00 0.00 34.13 31.41 2dnm s GLU 48 CO 0.21 -0.09 0.84 -0.35 -0.54 0.00 0.00 175.26 175.33 2dnm n PRO 49 N 0.64 0.81 0.00 4.30 -0.04 -1.26 -3.49 135.00 135.97 2dnm n PRO 49 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2dnm n PRO 49 Cb 0.45 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 2dnm n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dnm n HIS 50 N -0.51 0.00 -4.38 0.54 8.25 -1.26 -5.10 115.22 112.76 2dnm n HIS 50 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 2dnm n HIS 50 Cb 0.00 0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 2dnm n HIS 50 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2dnm s THR 51 N -1.78 1.93 -1.91 1.59 -1.32 -1.23 -5.01 115.64 107.91 2dnm s THR 51 Ca 0.00 -2.26 0.21 0.00 -1.21 0.00 0.00 61.69 58.43 2dnm s THR 51 Cb 0.00 -2.12 0.57 0.00 -1.51 0.00 0.00 72.50 69.44 2dnm s THR 51 CO 0.00 -0.54 1.66 0.29 -2.21 0.00 0.00 174.62 173.82 2dnm n LYS 52 N -0.45 0.61 -2.93 7.08 4.01 -1.26 -3.43 118.16 121.80 2dnm n LYS 52 Ca -0.07 0.01 -0.40 0.00 -0.51 0.00 0.00 58.31 57.34 2dnm n LYS 52 Cb 0.60 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.57 2dnm n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dnm s ALA 53 N -2.09 3.37 0.16 7.82 0.00 -1.26 -4.80 121.76 124.96 2dnm s ALA 53 Ca 0.30 0.37 -0.33 0.00 0.00 0.00 0.00 51.96 52.30 2dnm s ALA 53 Cb 0.15 -3.04 -0.16 0.00 0.00 0.00 0.00 23.12 20.07 2dnm s ALA 53 CO 0.26 0.13 1.13 -2.30 0.00 0.00 0.00 175.76 174.98 2dnm n PRO 54 N 2.36 1.02 0.00 0.00 -0.02 -1.26 -2.23 135.00 134.87 2dnm n PRO 54 Ca -0.03 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2dnm n PRO 54 Cb 0.49 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2dnm n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dnm n ARG 55 N 1.72 0.00 0.00 -0.52 1.74 -1.15 -4.66 116.66 113.79 2dnm n ARG 55 Ca 0.16 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 2dnm n ARG 55 Cb 0.23 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2dnm n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dnm n GLY 56 N -0.99 0.10 3.24 -0.13 0.00 -1.26 -4.93 105.19 101.22 2dnm n GLY 56 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2dnm n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dnm s PHE 57 N 0.00 1.47 0.36 1.61 -0.12 -1.26 -3.21 117.98 116.83 2dnm s PHE 57 Ca 0.00 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.42 2dnm s PHE 57 Cb 0.00 -0.79 -0.05 0.00 -0.63 0.00 0.00 43.02 41.55 2dnm s PHE 57 CO 0.00 0.15 0.08 0.00 -0.05 0.00 0.00 175.22 175.41 2dnm s ALA 58 N -1.68 2.59 -0.06 1.99 0.00 -0.25 -4.48 121.76 119.88 2dnm s ALA 58 Ca 0.06 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.36 2dnm s ALA 58 Cb -0.07 0.70 0.01 0.00 0.00 0.00 0.00 23.12 23.75 2dnm s ALA 58 CO 0.03 -0.32 -0.11 -0.06 0.00 0.00 0.00 175.76 175.31 2dnm s PHE 59 N -3.28 1.28 -0.03 0.00 0.40 0.06 -1.99 117.98 114.43 2dnm s PHE 59 Ca 0.31 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 2dnm s PHE 59 Cb 0.06 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 2dnm s PHE 59 CO 0.15 -0.24 -0.16 0.08 0.70 0.00 0.00 175.22 175.75 2dnm s VAL 60 N 0.65 1.29 0.33 -0.44 1.01 -0.74 -0.09 120.40 122.41 2dnm s VAL 60 Ca -0.13 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2dnm s VAL 60 Cb -0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2dnm s VAL 60 CO 0.03 0.37 0.26 -0.13 0.00 0.00 0.00 175.10 175.63 2dnm s ARG 61 N -0.10 2.69 0.30 2.72 0.52 -0.74 0.36 118.95 124.69 2dnm s ARG 61 Ca 0.00 -1.31 0.01 0.00 -0.52 0.00 0.00 55.73 53.91 2dnm s ARG 61 Cb -0.09 -2.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 2dnm s ARG 61 CO 0.01 0.12 0.31 -0.06 0.02 0.00 0.00 175.30 175.71 2dnm s PHE 62 N -2.31 1.33 -0.14 -0.53 0.40 0.10 -0.35 117.98 116.48 2dnm s PHE 62 Ca 0.40 -1.43 0.08 0.00 -0.60 0.00 0.00 56.93 55.38 2dnm s PHE 62 Cb -0.05 -0.44 -0.15 0.00 0.51 0.00 0.00 43.02 42.89 2dnm s PHE 62 CO 0.26 -0.90 -0.02 0.72 0.70 0.00 0.00 175.22 175.98 2dnm n HIS 63 N -0.51 0.00 -4.14 0.36 8.25 -1.26 -3.98 115.22 113.93 2dnm n HIS 63 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 2dnm n HIS 63 Cb 0.63 -0.65 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 2dnm n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dnm s ASP 64 N -4.95 4.52 -0.18 0.41 2.15 -1.26 -4.92 116.67 112.43 2dnm s ASP 64 Ca -0.12 -0.90 -0.15 0.00 0.43 0.00 0.00 52.55 51.82 2dnm s ASP 64 Cb 0.05 -0.62 -0.08 0.00 -0.30 0.00 0.00 42.92 41.96 2dnm s ASP 64 CO 0.49 -0.36 -0.17 -1.14 -0.17 0.00 0.00 175.17 173.82 2dnm n ARG 65 N -1.14 0.51 -0.06 4.34 0.00 -1.26 -4.17 116.66 114.89 2dnm n ARG 65 Ca -0.03 0.42 -0.08 0.00 -0.00 0.00 0.00 57.85 58.16 2dnm n ARG 65 Cb 0.62 -1.61 -0.06 0.00 0.00 0.00 0.00 32.46 31.42 2dnm n ARG 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dnm h ARG 66 N -1.00 -0.25 -1.00 -0.14 2.47 -2.00 0.53 114.38 112.99 2dnm h ARG 66 Ca -0.17 0.02 0.38 0.00 -1.26 0.00 0.00 59.98 58.95 2dnm h ARG 66 Cb 0.95 0.06 -0.18 0.00 -1.65 0.00 0.00 29.97 29.15 2dnm h ARG 66 CO -0.10 -0.17 0.44 -0.44 0.56 0.00 0.00 179.97 180.26 2dnm h ASP 67 N -0.26 0.18 -0.44 7.04 3.32 -1.93 1.02 116.42 125.35 2dnm h ASP 67 Ca 0.03 0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 2dnm h ASP 67 Cb 0.36 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2dnm h ASP 67 CO -0.31 -0.40 0.00 0.00 -1.72 0.00 0.00 179.24 176.81 2dnm h ALA 68 N 1.98 0.60 -0.36 3.45 0.00 -1.12 -3.07 119.26 120.74 2dnm h ALA 68 Ca 0.79 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.51 2dnm h ALA 68 Cb 2.00 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 2dnm h ALA 68 CO -0.78 0.39 -0.17 1.96 0.00 0.00 0.00 179.25 180.64 2dnm h GLN 69 N 0.62 -0.10 0.22 0.00 1.08 0.25 -0.85 115.11 116.34 2dnm h GLN 69 Ca 0.13 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2dnm h GLN 69 Cb 0.49 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2dnm h GLN 69 CO 0.02 -0.07 -0.35 0.22 -0.95 0.00 0.00 178.83 177.70 2dnm h ASP 70 N -0.11 -1.00 -0.87 1.46 1.82 -1.42 -2.19 116.42 114.11 2dnm h ASP 70 Ca 0.18 0.09 0.23 0.00 -0.39 0.00 0.00 57.03 57.14 2dnm h ASP 70 Cb 0.39 0.35 -0.14 0.00 0.68 0.00 0.00 39.33 40.60 2dnm h ASP 70 CO -0.43 -0.42 0.20 0.00 -1.61 0.00 0.00 179.24 176.98 2dnm h ALA 71 N -1.04 1.21 -1.14 -0.78 0.00 -1.40 -0.93 119.26 115.18 2dnm h ALA 71 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2dnm h ALA 71 Cb 0.56 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dnm h ALA 71 CO -0.11 -0.46 0.00 -1.91 0.00 0.00 0.00 179.25 176.76 2dnm n GLU 72 N -5.25 0.00 -0.24 0.00 0.00 -0.35 -0.24 120.64 114.57 2dnm n GLU 72 Ca 0.20 0.48 -0.10 0.00 0.00 0.00 0.00 57.16 57.74 2dnm n GLU 72 Cb 0.66 -1.31 -0.07 0.00 0.00 0.00 0.00 31.44 30.72 2dnm n GLU 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dnm h ALA 73 N -1.79 -0.51 -0.36 4.31 0.00 -1.05 1.08 119.26 120.93 2dnm h ALA 73 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2dnm h ALA 73 Cb 0.00 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2dnm h ALA 73 CO 0.00 -0.93 -0.51 0.00 0.00 0.00 0.00 179.25 177.81 2dnm h ALA 74 N 0.40 -0.68 0.08 0.00 0.00 -1.15 -3.17 119.26 114.74 2dnm h ALA 74 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dnm h ALA 74 Cb 0.54 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2dnm h ALA 74 CO -0.73 -1.00 -0.04 0.52 0.00 0.00 0.00 179.25 178.00 2dnm h MET 75 N -0.41 -0.11 -4.28 0.00 2.86 0.39 -3.39 114.93 110.00 2dnm h MET 75 Ca 0.09 0.01 -0.60 0.00 -2.06 0.00 0.00 59.70 57.13 2dnm h MET 75 Cb 0.61 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 2dnm h MET 75 CO -0.56 -0.07 0.64 -3.47 1.06 0.00 0.00 176.91 174.50 2dnm n ASP 76 N -2.38 0.76 0.00 1.22 2.03 0.36 0.23 116.55 118.77 2dnm n ASP 76 Ca -0.01 0.73 0.00 0.00 0.52 0.00 0.00 54.79 56.03 2dnm n ASP 76 Cb 0.04 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2dnm n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dnm n GLY 77 N 3.67 0.57 3.88 0.27 0.00 -1.26 -4.80 105.19 107.52 2dnm n GLY 77 Ca 0.28 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2dnm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dnm s ALA 78 N -2.00 2.49 -0.35 4.61 0.00 0.64 -5.00 121.76 122.15 2dnm s ALA 78 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2dnm s ALA 78 Cb 0.00 -2.97 0.10 0.00 0.00 0.00 0.00 23.12 20.25 2dnm s ALA 78 CO 0.00 -1.80 0.08 -2.00 0.00 0.00 0.00 175.76 172.04 2dnm s GLU 79 N -5.53 1.58 -0.04 0.00 2.12 -1.26 -3.91 118.70 111.65 2dnm s GLU 79 Ca 0.62 -1.86 -0.01 0.00 0.36 0.00 0.00 54.97 54.08 2dnm s GLU 79 Cb -0.12 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 31.03 2dnm s GLU 79 CO 0.50 -0.96 0.03 -0.51 -0.54 0.00 0.00 175.26 173.77 2dnm s LEU 80 N 0.94 0.64 -1.18 2.70 1.43 -0.90 -4.82 118.68 117.50 2dnm s LEU 80 Ca 0.10 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2dnm s LEU 80 Cb -0.20 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.80 2dnm s LEU 80 CO -0.07 -0.18 0.45 -0.67 0.23 0.00 0.00 176.35 176.11 2dnm n ASP 81 N 4.81 -5.01 -0.65 2.29 2.03 -1.26 -1.90 116.55 116.86 2dnm n ASP 81 Ca -0.13 -0.21 -0.09 0.00 0.52 0.00 0.00 54.79 54.88 2dnm n ASP 81 Cb 0.50 -3.87 -0.04 0.00 -0.72 0.00 0.00 41.12 37.00 2dnm n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dnm n GLY 82 N -1.33 0.86 3.05 0.27 0.00 -1.26 -4.95 105.19 101.83 2dnm n GLY 82 Ca -0.09 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 2dnm n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dnm s ARG 83 N -2.60 0.73 -1.07 1.61 1.81 -0.80 -5.08 118.95 113.56 2dnm s ARG 83 Ca 0.00 -0.48 -0.20 0.00 -1.72 0.00 0.00 55.73 53.33 2dnm s ARG 83 Cb 0.00 -0.68 0.09 0.00 -0.45 0.00 0.00 34.95 33.91 2dnm s ARG 83 CO 0.00 0.18 1.40 -1.21 -0.68 0.00 0.00 175.30 174.99 2dnm s GLU 84 N -0.63 3.73 -0.86 3.54 8.01 -1.26 -2.11 118.70 129.13 2dnm s GLU 84 Ca 0.01 -1.65 -0.23 0.00 0.01 0.00 0.00 54.97 53.10 2dnm s GLU 84 Cb -0.05 -5.22 -0.21 0.00 -4.31 0.00 0.00 34.13 24.34 2dnm s GLU 84 CO 0.00 -2.03 2.45 1.28 0.01 0.00 0.00 175.26 176.97 2dnm n LEU 85 N 7.70 0.50 -4.56 1.80 4.77 -1.25 -4.76 117.00 121.19 2dnm n LEU 85 Ca 0.34 -0.44 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 2dnm n LEU 85 Cb 0.48 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.44 2dnm n LEU 85 CO 0.63 -1.41 1.36 -0.60 -1.33 0.00 0.00 177.39 176.04 2dnm s ARG 86 N 8.30 1.88 -0.65 3.23 6.06 -1.22 -4.27 118.95 132.28 2dnm s ARG 86 Ca 1.20 0.47 -0.05 0.00 -2.50 0.00 0.00 55.73 54.86 2dnm s ARG 86 Cb -0.74 -4.79 0.17 0.00 0.06 0.00 0.00 34.95 29.65 2dnm s ARG 86 CO 0.40 -4.04 0.49 0.08 -2.50 0.00 0.00 175.30 169.73 2dnm s VAL 87 N 13.38 4.01 0.40 7.11 1.01 -1.26 -0.67 120.40 144.39 2dnm s VAL 87 Ca 0.88 -2.86 0.01 0.00 0.00 0.00 0.00 61.98 60.01 2dnm s VAL 87 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2dnm s VAL 87 CO 0.09 -0.90 0.05 0.00 0.00 0.00 0.00 175.10 174.35 2dnm n GLN 88 N 3.59 1.01 -3.11 2.72 6.02 -0.32 -3.61 117.38 123.68 2dnm n GLN 88 Ca 0.08 -2.86 -0.39 0.00 -0.01 0.00 0.00 57.00 53.82 2dnm n GLN 88 Cb 0.39 0.69 -0.05 0.00 1.02 0.00 0.00 30.24 32.29 2dnm n GLN 88 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2dnm s VAL 89 N -2.38 5.08 -0.53 5.09 1.01 -1.26 -0.08 120.40 127.32 2dnm s VAL 89 Ca 0.04 1.32 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 2dnm s VAL 89 Cb -0.00 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2dnm s VAL 89 CO 0.03 0.25 1.45 0.00 0.00 0.00 0.00 175.10 176.83 2dnm s ALA 90 N 0.86 2.81 0.06 5.51 0.00 -0.89 -4.69 121.76 125.42 2dnm s ALA 90 Ca 0.34 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2dnm s ALA 90 Cb -0.17 -4.09 -0.03 0.00 0.00 0.00 0.00 23.12 18.83 2dnm s ALA 90 CO 0.16 -2.89 -0.05 0.50 0.00 0.00 0.00 175.76 173.47 2dnm s ARG 91 N 5.51 0.62 -0.24 0.00 3.52 -1.26 -4.73 118.95 122.37 2dnm s ARG 91 Ca 0.55 -1.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 2dnm s ARG 91 Cb -0.12 -0.06 0.05 0.00 -1.56 0.00 0.00 34.95 33.26 2dnm s ARG 91 CO 0.26 -0.03 -0.12 0.71 -0.81 0.00 0.00 175.30 175.31 2dnm s TYR 92 N -2.81 3.04 0.16 5.12 2.02 -1.26 -5.05 117.35 118.57 2dnm s TYR 92 Ca 0.01 -2.11 0.00 0.00 -0.37 0.00 0.00 57.07 54.60 2dnm s TYR 92 Cb -0.00 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2dnm s TYR 92 CO -0.04 -0.85 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 2dnm n GLY 93 N 4.50 -2.53 3.69 0.71 0.00 -1.26 -5.08 105.19 105.22 2dnm n GLY 93 Ca -0.15 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 2dnm n GLY 93 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dnm s ARG 94 N -2.92 1.67 -0.02 1.61 3.52 -1.26 -5.17 118.95 116.38 2dnm s ARG 94 Ca 0.00 -1.18 0.02 0.00 -0.13 0.00 0.00 55.73 54.44 2dnm s ARG 94 Cb 0.00 0.53 0.01 0.00 -1.56 0.00 0.00 34.95 33.92 2dnm s ARG 94 CO 0.00 -0.73 -0.07 1.03 -0.81 0.00 0.00 175.30 174.72 2dnm s ARG 95 N -3.89 0.82 0.50 5.12 0.52 -1.26 -5.02 118.95 115.74 2dnm s ARG 95 Ca 0.18 -0.24 0.28 0.00 -0.52 0.00 0.00 55.73 55.44 2dnm s ARG 95 Cb -0.03 -0.78 1.20 0.00 0.52 0.00 0.00 34.95 35.86 2dnm s ARG 95 CO 0.09 0.07 1.93 0.22 0.02 0.00 0.00 175.30 177.64 2dnm h ASP 96 N 6.47 0.00 -3.43 0.23 3.58 -2.08 -3.43 116.42 117.75 2dnm h ASP 96 Ca -0.33 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.46 2dnm h ASP 96 Cb 1.17 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.04 2dnm h ASP 96 CO 0.49 0.12 -0.80 -1.48 -2.88 0.00 0.00 179.24 174.69 2dnm s LEU 97 N -6.63 2.62 0.09 2.28 2.34 -1.26 -5.14 118.68 112.98 2dnm s LEU 97 Ca 0.00 -0.69 0.04 0.00 0.06 0.00 0.00 54.13 53.55 2dnm s LEU 97 Cb 0.10 -1.40 -0.04 0.00 -0.56 0.00 0.00 46.19 44.29 2dnm s LEU 97 CO 0.59 0.14 0.02 -0.44 -1.06 0.00 0.00 176.35 175.61 2dnm s SER 98 N -2.44 5.17 0.75 1.48 0.01 -1.26 -5.09 113.70 112.31 2dnm s SER 98 Ca 0.20 -0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.17 2dnm s SER 98 Cb -0.09 -1.28 0.02 0.00 0.21 0.00 0.00 66.02 64.87 2dnm s SER 98 CO 0.10 0.17 0.92 0.61 0.41 0.00 0.00 173.24 175.45 2dnm n GLY 99 N 0.50 -0.60 3.71 3.44 0.00 -1.26 -4.93 105.19 106.06 2dnm n GLY 99 Ca -0.10 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2dnm n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dnm s PRO 100 N -3.41 4.49 0.11 1.61 0.04 -1.26 -5.05 135.00 131.54 2dnm s PRO 100 Ca 0.71 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.40 2dnm s PRO 100 Cb -0.33 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 2dnm s PRO 100 CO 0.52 -0.16 -0.08 -1.54 0.04 0.00 0.00 177.00 175.78 2dnm s SER 101 N 1.02 1.35 0.01 6.66 1.04 -1.26 -5.16 113.70 117.35 2dnm s SER 101 Ca 0.56 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 56.04 2dnm s SER 101 Cb -0.26 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 2dnm s SER 101 CO 0.29 -0.42 -0.13 -0.44 0.98 0.00 0.00 173.24 173.52 2dnm s SER 102 N -3.06 4.14 0.00 7.02 0.01 -1.26 -5.30 113.70 115.25 2dnm s SER 102 Ca 0.13 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2dnm s SER 102 Cb 0.04 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.45 2dnm s SER 102 CO -0.03 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.51